6,6-dimethyl-2-trimethylsilylheptanal

C12H26OSi — CID 175878353

IUPAC6,6-dimethyl-2-trimethylsilylheptanal
SMILESCC(C)(C)CCCC(C=O)[Si](C)(C)C
InChIInChI=1S/C12H26OSi/c1-12(2,3)9-7-8-11(10-13)14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyQJVVRHDURIKSCL-UHFFFAOYSA-N
MW214.43 g/mol
LogP4.11
Rot. Bonds5

About 6,6-dimethyl-2-trimethylsilylheptanal

6,6-dimethyl-2-trimethylsilylheptanal (PubChem CID 175878353) has the molecular formula C12H26OSi and a molecular weight of 214.43 g/mol. Its IUPAC name is 6,6-dimethyl-2-trimethylsilylheptanal.

Molecular Properties

Compound Name6,6-dimethyl-2-trimethylsilylheptanal
PubChem CID175878353
Molecular FormulaC12H26OSi
Molecular Weight214.43 g/mol
Exact Mass214.18
IUPAC Name6,6-dimethyl-2-trimethylsilylheptanal
SMILESCC(C)(C)CCCC(C=O)[Si](C)(C)C
InChIInChI=1S/C12H26OSi/c1-12(2,3)9-7-8-11(10-13)14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyQJVVRHDURIKSCL-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-trimethylsilylheptanal?
The IUPAC name of 6,6-dimethyl-2-trimethylsilylheptanal (CID 175878353) is 6,6-dimethyl-2-trimethylsilylheptanal.
What is the SMILES notation for 6,6-dimethyl-2-trimethylsilylheptanal?
The canonical SMILES for 6,6-dimethyl-2-trimethylsilylheptanal is CC(C)(C)CCCC(C=O)[Si](C)(C)C.
What is the InChIKey of 6,6-dimethyl-2-trimethylsilylheptanal?
The InChIKey is QJVVRHDURIKSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-12(2,3)9-7-8-11(10-13)14(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 6,6-dimethyl-2-trimethylsilylheptanal?
6,6-dimethyl-2-trimethylsilylheptanal has a molecular weight of 214.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-trimethylsilylheptanal is sourced from PubChem (CID 175878353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).